Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 6/20 | 0.56 |
| ▸ | MMP9 | P14780 | 6/20 | 0.56 |
| ▸ | MMP8 | P22894 | 6/20 | 0.56 |
| ▸ | MMP1 | P03956 | 4/20 | 0.56 |
| ▸ | ECE1 | P42892 | 4/20 | 0.54 |
| ▸ | EDNRA | P25101 | 1/20 | 0.54 |
| ▸ | ACE | P12821 | 2/20 | 0.53 |
| ▸ | MMP3 | P08254 | 2/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.52 |
| ▸ | MAGI3 | Q5TCQ9 | 1/20 | 0.50 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.50 |
| ▸ | ADAM12 | O43184 | 1/20 | 0.50 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.50 |
| ▸ | MMP7 | P09237 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | MMP14 | P50281 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14015903 | 0.92 | CASP1 (0.55) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL31171653 | 0.88 | CASP1 (0.58) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL31171681 | 0.88 | CASP1 (0.57) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL13020158 | 0.87 | CASP1 (0.51) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL31171635 | 0.85 | CASP1 (0.55) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL14417484 | 0.85 | CASP1 (0.54) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL13020893 | 0.85 | CASP1 (0.54) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL30335462 | 0.85 | ERAP2 (0.58) | CASP1CASP3CASP7MMP2MMP9 | |
| SCHEMBL23417720 | 0.85 | CCKBR (0.56) | CASP1CASP3CASP7 | |
| SCHEMBL31171646 | 0.84 | ACE (0.62) | CASP1CASP3CASP7MMP2MMP9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367677-B2 | Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid | REVOTAR BIOPHARMACEUTICALS AG (DE) | 2013-02-05 | — | — | US | disclosed |
| EP-1732882-B1 | NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | REVOTAR BIOPHARMACEUTICALS AG (DE) | 2012-07-04 | — | — | EP | disclosed |